(2S)-1-[(5-ethylfuran-2-yl)methyl]-N-[4-(2-methylimidazol-1-yl)phenyl]pyrrolidin-1-ium-2-carboxamide

Systemtic Name: (2S)-1-[(5-ethylfuran-2-yl)methyl]-N-[4-(2-methylimidazol-1-yl)phenyl]pyrrolidin-1-ium-2-carboxamide Openeye Name: (2S)-1-[(5-ethyl-2-furyl)methyl]-N-[4-(2-methylimidazol-1-yl)phenyl]pyrrolidin-1-ium-2-carboxamide CAS Name: (2S)-1-[(5-ethyl-2-furanyl)methyl]-N-[4-(2-methyl-1-imidazolyl)phenyl]-2-pyrrolidin-1-iumcarboxamide IUPAC Name: (2S)-1-[(5-ethylfuran-2-yl)methyl]-N-[4-(2-methylimidazol-1-yl)phenyl]pyrrolidin-1-ium-2-carboxamide Traditional Name: (2S)-1-[(5-ethyl-2-furyl)methyl]-N-[4-(2-methylimidazol-1-yl)phenyl]pyrrolidin-1-ium-2-carboxamide Formula: C22H27N4O2+ MolecularWeight: 379.47538

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(O1)C[NH+]2CCCC2C(=O)NC3=CC=C(C=C3)N4C=CN=C4C

Isomeric SMILES

CCC1=CC=C(O1)C[NH+]2CCC[C@H]2C(=O)NC3=CC=C(C=C3)N4C=CN=C4C

InChI

InChI=1S/C22H26N4O2/c1-3-19-10-11-20(28-19)15-25-13-4-5-21(25)22(27)24-17-6-8-18(9-7-17)26-14-12-23-16(26)2/h6-12,14,21H,3-5,13,15H2,1-2H3,(H,24,27)/p+1/t21-/m0/s1